UCSF

ZINC49330675

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 16 No

Popular Name: 1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-4-one 1-[2-(2-methylimidazol-1-yl)ethy…

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Download: MOL2 SDF SMILES Flexibase

Annotations

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Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.13 5.17 -105.86 3 5 2 56 224.308 3 ↓
Hi High (pH 8-9.5) 0.13 2.95 -34.4 2 5 1 55 223.3 3 ↓
Hi High (pH 8-9.5) 0.13 2.48 -10.29 1 5 0 54 222.292 3 ↓
Mid Mid (pH 6-8) 0.13 4.69 -55.22 2 5 1 55 223.3 3 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.